2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

C10H10N2O3S2 — CID 24518916

IUPAC2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
SMILESO=C(CSc1ncnc2sccc12)OCCO
InChIInChI=1S/C10H10N2O3S2/c13-2-3-15-8(14)5-17-10-7-1-4-16-9(7)11-6-12-10/h1,4,6,13H,2-3,5H2
InChIKeyOGTASRRJMZHFFR-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.32
Rot. Bonds5

About 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate (PubChem CID 24518916) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
PubChem CID24518916
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC Name2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
SMILESO=C(CSc1ncnc2sccc12)OCCO
InChIInChI=1S/C10H10N2O3S2/c13-2-3-15-8(14)5-17-10-7-1-4-16-9(7)11-6-12-10/h1,4,6,13H,2-3,5H2
InChIKeyOGTASRRJMZHFFR-UHFFFAOYSA-N
XLogP1.32
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735649
(4-oxo-4-thiophen-2-ylbutyl) 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735604
2-(3-methylphenoxy)ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735582
phenacyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742490
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 8565787
methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate
CID 7735786
(4-nitrophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7736073
[2-(4-ethylphenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735739
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742507
[2-(2-methylpropylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735780
[2-(dibenzylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 2449239
[2-(3-fluorophenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 8676488

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The IUPAC name of 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate (CID 24518916) is 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate.
What is the SMILES notation for 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The canonical SMILES for 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate is O=C(CSc1ncnc2sccc12)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The InChIKey is OGTASRRJMZHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c13-2-3-15-8(14)5-17-10-7-1-4-16-9(7)11-6-12-10/h1,4,6,13H,2-3,5H2.
What are the key properties of 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate has a molecular weight of 270.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate is sourced from PubChem (CID 24518916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).